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3'-Iodo-5-(4,4,5,5-tetramethyl[1,3,2]-dioxaboroncyclopentyl)trikis[1-(1,4-dihexylphenyl)benzene]
SpectraBase Compound ID IecbZJAkkvi
InChI InChI=1S/C78H108BIO2/c1-11-17-23-29-38-64-54-72(61-46-36-47-62(51-61)75-57-69(43-34-28-22-16-6)76(58-68(75)42-33-27-21-15-5)79-81-77(7,8)78(9,10)82-79)65(39-30-24-18-12-2)53-71(64)59-44-35-45-60(50-59)73-55-67(41-32-26-20-14-4)74(63-48-37-49-70(80)52-63)56-66(73)40-31-25-19-13-3/h35-37,44-58H,11-34,38-43H2,1-10H3
InChIKey YXWISOQLEPEBQO-UHFFFAOYSA-N
Mol Weight 1215.4 g/mol
Molecular Formula C78H108BIO2
Exact Mass 1214.748708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9D6lB7AsA2b
Name 3'-Iodo-5-(4,4,5,5-tetramethyl[1,3,2]-dioxaboroncyclopentyl)trikis[1-(1,4-dihexylphenyl)benzene]
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C78H108BIO2
InChI InChI=1S/C78H108BIO2/c1-11-17-23-29-38-64-54-72(61-46-36-47-62(51-61)75-57-69(43-34-28-22-16-6)76(58-68(75)42-33-27-21-15-5)79-81-77(7,8)78(9,10)82-79)65(39-30-24-18-12-2)53-71(64)59-44-35-45-60(50-59)73-55-67(41-32-26-20-14-4)74(63-48-37-49-70(80)52-63)56-66(73)40-31-25-19-13-3/h35-37,44-58H,11-34,38-43H2,1-10H3
InChIKey YXWISOQLEPEBQO-UHFFFAOYSA-N
Molecular Weight 1215.434 g/mol
SMILES C1(OB(OC1(C)C)c1cc(CCCCCC)c(cc1CCCCCC)-c1cc(-c2cc(CCCCCC)c(cc2CCCCCC)-c2cc(-c3cc(CCCCCC)c(cc3CCCCCC)-c3cc(I)ccc3)ccc2)ccc1)(C)C
SPLASH splash10-014i-0090000000-b5bc22fc4018590d9124
Source of Spectrum QE-5-426-5
Synonyms 3'-Iodo-5-(4,4,5,5-tetramethyl[1,3,2]-dioxaboroncyclopentyl)trikis[1'-(1,4-dihexylphen-2-yl)benzene]
Wiley ID 843880